# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_s9
_database_code_depnum_ccdc_archive 'CCDC 1447976'
_audit_update_record             
;
2016-01-18 deposited with the CCDC.
2016-09-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C8 H20 La4 Mo4 O28'
_chemical_formula_weight         1503.64

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
La La -0.2871 2.4523 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.7835(6)
_cell_length_b                   10.2650(6)
_cell_length_c                   14.8005(9)
_cell_angle_alpha                91.4270(10)
_cell_angle_beta                 107.7180(10)
_cell_angle_gamma                91.2630(10)
_cell_volume                     1414.75(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.530
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1376
_exptl_absorpt_coefficient_mu    7.721
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.2484
_exptl_absorpt_correction_T_max  0.3371
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 0.01
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8195
_diffrn_reflns_av_R_equivalents  0.0240
_diffrn_reflns_av_sigmaI/netI    0.0447
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.45
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4969
_reflns_number_gt                2971
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 1997)'
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
 During the refinement, the command 'omit-3 50' was used to remove the weak
 reflections above 50 degree. 
 The restrained command 'ISOR' was used to restrain the non-H atoms on 
 organic ligands with ADP and NPD problems. 
 The refinement details are as follows:
 ISOR 0.01 O3 O17 O21 O1W
 ISOR 0.005 O4
 ISOR 0.01 C2 C3 C4 C6 C8
 ISOR 0.005 C1 
 All above restained refinement led to a relatively high restraint value of
 69.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0280P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4969
_refine_ls_number_parameters     403
_refine_ls_number_restraints     69
_refine_ls_R_factor_all          0.0600
_refine_ls_R_factor_gt           0.0308
_refine_ls_wR_factor_ref         0.0827
_refine_ls_wR_factor_gt          0.0704
_refine_ls_goodness_of_fit_ref   0.989
_refine_ls_restrained_S_all      0.984
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
La1 La 0.10072(8) 0.43022(7) -0.17803(6) 0.00640(17) Uani 1 1 d . . .
La2 La -0.40533(8) -0.04785(7) -0.18094(6) 0.00690(17) Uani 1 1 d . . .
La3 La 0.15333(8) -0.19968(7) -0.32203(6) 0.00629(18) Uani 1 1 d . . .
La4 La -0.35116(8) 0.31918(7) -0.31930(6) 0.00713(18) Uani 1 1 d . . .
Mo1 Mo -0.02472(11) 0.16431(10) -0.38452(9) 0.0074(2) Uani 1 1 d . . .
Mo2 Mo -0.51226(11) 0.68045(10) -0.39047(9) 0.0075(2) Uani 1 1 d . . .
Mo3 Mo 0.26242(11) 0.06976(10) -0.11053(9) 0.0073(2) Uani 1 1 d . . .
Mo4 Mo -0.22735(11) -0.41217(10) -0.11463(9) 0.0074(2) Uani 1 1 d . . .
O1W O 0.3699(6) 0.3980(6) -0.1568(5) 0.0210(16) Uani 1 1 d U . .
H1WA H 0.4025 0.3330 -0.1233 0.025 Uiso 1 1 d R . .
H1WB H 0.4411 0.4451 -0.1592 0.025 Uiso 1 1 d R . .
O2W O -0.1511(6) -0.0168(6) -0.1938(5) 0.0237(17) Uani 1 1 d D . .
H2WA H -0.128(8) 0.031(7) -0.233(5) 0.028 Uiso 1 1 d D . .
H2WB H -0.092(7) -0.078(6) -0.177(7) 0.028 Uiso 1 1 d D . .
O3W O -0.0982(6) -0.2310(6) -0.3040(5) 0.0202(15) Uani 1 1 d . . .
H3WA H -0.1829 -0.2033 -0.3155 0.024 Uiso 1 1 d R . .
H3WB H -0.1032 -0.3135 -0.3016 0.024 Uiso 1 1 d R . .
O4W O -0.6216(6) 0.3522(6) -0.3444(5) 0.0235(16) Uani 1 1 d . . .
H4WA H -0.6462 0.4079 -0.3875 0.028 Uiso 1 1 d R . .
H4WB H -0.6977 0.3204 -0.3362 0.028 Uiso 1 1 d R . .
O1 O -0.6088(8) -0.1953(7) -0.1691(7) 0.013(2) Uani 1 1 d . . .
O2 O 0.3249(9) 0.0188(8) 0.0082(7) 0.016(2) Uani 1 1 d . . .
O3 O -0.0815(9) 0.2198(8) -0.5023(7) 0.013(2) Uani 1 1 d U . .
O4 O 0.0541(7) 0.5600(6) -0.3380(6) 0.0116(16) Uani 1 1 d U . .
O5 O -0.4228(8) 0.5340(7) -0.3858(6) 0.0176(19) Uani 1 1 d . . .
O7 O 0.1720(8) 0.2158(7) -0.1129(6) 0.0169(19) Uani 1 1 d . . .
O8 O -0.4805(8) 0.0961(7) -0.3330(5) 0.0169(18) Uani 1 1 d . . .
O9 O -0.3674(9) -0.5157(8) -0.1854(7) 0.0179(19) Uani 1 1 d . . .
O10 O 0.1433(9) -0.0512(7) -0.1830(7) 0.0181(19) Uani 1 1 d . . .
O11 O 0.0368(7) 0.0063(7) -0.3857(6) 0.0181(19) Uani 1 1 d . . .
O12 O -0.2899(7) -0.2534(7) -0.1168(6) 0.0177(19) Uani 1 1 d . . .
O13 O -0.3028(8) 0.1915(7) -0.1582(6) 0.0158(18) Uani 1 1 d . . .
O14 O -0.7731(8) -0.3440(6) -0.1686(6) 0.0158(18) Uani 1 1 d . . .
O15 O 0.1163(8) 0.2663(7) -0.3136(7) 0.0129(18) Uani 1 1 d . . .
O16 O -0.5742(9) 0.7286(8) -0.5103(7) 0.015(2) Uani 1 1 d . . .
O17 O -0.1249(8) 0.4286(8) -0.3340(7) 0.0124(19) Uani 1 1 d U . .
O18 O 0.4088(8) 0.1017(7) -0.1540(7) 0.0104(19) Uani 1 1 d . . .
O19 O -0.1703(9) 0.1588(8) -0.3358(7) 0.016(2) Uani 1 1 d . . .
O20 O -0.6597(9) 0.6529(8) -0.3488(7) 0.015(2) Uani 1 1 d . . .
O21 O -0.1223(9) 0.3200(8) -0.1601(7) 0.0132(19) Uani 1 1 d U . .
O22 O -0.0815(8) -0.4069(8) -0.1628(7) 0.013(2) Uani 1 1 d . . .
O23 O -0.6438(8) -0.0539(8) -0.3345(7) 0.015(2) Uani 1 1 d . . .
O24 O -0.1748(9) -0.4640(8) 0.0033(7) 0.014(2) Uani 1 1 d . . .
C1 C -0.0718(12) 0.5133(10) -0.3778(9) 0.008(2) Uani 1 1 d U . .
C2 C -0.1578(13) 0.5499(12) -0.4744(9) 0.016(3) Uani 1 1 d U . .
H2A H -0.2490 0.5038 -0.4919 0.024 Uiso 1 1 calc R . .
H2B H -0.1076 0.5275 -0.5188 0.024 Uiso 1 1 calc R . .
H2C H -0.1726 0.6420 -0.4748 0.024 Uiso 1 1 calc R . .
C3 C -0.5978(12) 0.0361(10) -0.3766(9) 0.011(2) Uani 1 1 d U . .
C4 C -0.6804(12) 0.0675(13) -0.4740(10) 0.022(3) Uani 1 1 d U . .
H4A H -0.7650 0.0119 -0.4949 0.033 Uiso 1 1 calc R . .
H4B H -0.6225 0.0542 -0.5153 0.033 Uiso 1 1 calc R . .
H4C H -0.7075 0.1569 -0.4754 0.033 Uiso 1 1 calc R . .
C5 C -0.6536(12) -0.2842(11) -0.1267(9) 0.013(3) Uani 1 1 d . . .
C6 C -0.5715(13) -0.3133(12) -0.0288(10) 0.024(3) Uani 1 1 d U . .
H6A H -0.6196 -0.3825 -0.0069 0.036 Uiso 1 1 calc R . .
H6B H -0.5641 -0.2369 0.0113 0.036 Uiso 1 1 calc R . .
H6C H -0.4771 -0.3396 -0.0269 0.036 Uiso 1 1 calc R . .
C7 C -0.1758(13) 0.2386(10) -0.1172(10) 0.015(3) Uani 1 1 d . . .
C8 C -0.0949(13) 0.2049(12) -0.0199(9) 0.021(3) Uani 1 1 d U . .
H8A H -0.1496 0.1420 0.0028 0.032 Uiso 1 1 calc R . .
H8B H -0.0773 0.2820 0.0206 0.032 Uiso 1 1 calc R . .
H8C H -0.0051 0.1689 -0.0196 0.032 Uiso 1 1 calc R . .
O6 O -0.3947(8) 0.8007(7) -0.3191(7) 0.0169(19) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
La1 O7 2.455(6) . ?
La1 O24 2.477(10) 2 ?
La1 O21 2.524(8) . ?
La1 O22 2.526(7) 1_565 ?
La1 O14 2.582(7) 1_665 ?
La1 O1W 2.585(5) . ?
La1 O15 2.629(9) . ?
La1 O17 2.664(9) . ?
La1 O4 2.667(7) . ?
La1 C1 3.078(12) . ?
La2 O2 2.444(10) 2 ?
La2 O12 2.486(6) . ?
La2 O18 2.521(7) 1_455 ?
La2 O1 2.526(8) . ?
La2 O2W 2.566(6) . ?
La2 O6 2.567(9) 1_545 ?
La2 O13 2.608(7) . ?
La2 O8 2.645(7) . ?
La2 O23 2.715(9) . ?
La2 C3 3.090(12) . ?
La3 O3 2.480(10) 2_554 ?
La3 O11 2.492(7) . ?
La3 O23 2.513(8) 1_655 ?
La3 O20 2.515(8) 1_645 ?
La3 O10 2.558(9) . ?
La3 O3W 2.569(6) . ?
La3 O4 2.609(7) 1_545 ?
La3 O14 2.662(7) 1_655 ?
La3 O1 2.707(8) 1_655 ?
La3 C5 3.090(12) 1_655 ?
La4 O16 2.436(10) 2_464 ?
La4 O5 2.466(7) . ?
La4 O19 2.505(7) . ?
La4 O17 2.531(8) . ?
La4 O8 2.565(7) . ?
La4 O4W 2.588(6) . ?
La4 O9 2.619(9) 1_565 ?
La4 O13 2.668(8) . ?
La4 O21 2.712(9) . ?
La4 C7 3.104(13) . ?
Mo1 O11 1.744(7) . ?
Mo1 O15 1.761(9) . ?
Mo1 O3 1.774(9) . ?
Mo1 O19 1.782(8) . ?
Mo2 O5 1.748(7) . ?
Mo2 O20 1.753(8) . ?
Mo2 O6 1.760(9) . ?
Mo2 O16 1.778(9) . ?
Mo3 O7 1.753(7) . ?
Mo3 O18 1.767(8) . ?
Mo3 O2 1.773(9) . ?
Mo3 O10 1.777(9) . ?
Mo4 O12 1.751(7) . ?
Mo4 O24 1.762(9) . ?
Mo4 O9 1.764(9) . ?
Mo4 O22 1.779(8) . ?
O1W H1WA 0.8501 . ?
O1W H1WB 0.8499 . ?
O2W H2WA 0.849(10) . ?
O2W H2WB 0.853(10) . ?
O3W H3WA 0.8500 . ?
O3W H3WB 0.8499 . ?
O4W H4WA 0.8500 . ?
O4W H4WB 0.8499 . ?
O1 C5 1.263(14) . ?
O1 La3 2.707(8) 1_455 ?
O2 La2 2.444(10) 2 ?
O3 La3 2.480(10) 2_554 ?
O4 C1 1.270(13) . ?
O4 La3 2.609(7) 1_565 ?
O8 C3 1.269(13) . ?
O9 La4 2.619(9) 1_545 ?
O13 C7 1.283(14) . ?
O14 C5 1.279(14) . ?
O14 La1 2.582(7) 1_445 ?
O14 La3 2.662(7) 1_455 ?
O16 La4 2.436(10) 2_464 ?
O17 C1 1.288(13) . ?
O18 La2 2.521(7) 1_655 ?
O20 La3 2.515(8) 1_465 ?
O21 C7 1.258(14) . ?
O22 La1 2.526(7) 1_545 ?
O23 C3 1.276(13) . ?
O23 La3 2.513(8) 1_455 ?
O24 La1 2.477(10) 2 ?
C1 C2 1.483(16) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 C4 1.469(16) . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 C6 1.469(17) . ?
C5 La3 3.090(12) 1_455 ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 C8 1.471(17) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
O6 La2 2.567(9) 1_565 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O7 La1 O24 74.4(3) . 2 ?
O7 La1 O21 73.5(2) . . ?
O24 La1 O21 85.6(3) 2 . ?
O7 La1 O22 134.8(3) . 1_565 ?
O24 La1 O22 79.9(3) 2 1_565 ?
O21 La1 O22 68.0(3) . 1_565 ?
O7 La1 O14 135.5(2) . 1_665 ?
O24 La1 O14 82.3(3) 2 1_665 ?
O21 La1 O14 142.3(2) . 1_665 ?
O22 La1 O14 74.7(2) 1_565 1_665 ?
O7 La1 O1W 69.8(2) . . ?
O24 La1 O1W 85.8(2) 2 . ?
O21 La1 O1W 143.3(2) . . ?
O22 La1 O1W 144.4(3) 1_565 . ?
O14 La1 O1W 71.2(2) 1_665 . ?
O7 La1 O15 69.9(3) . . ?
O24 La1 O15 142.8(2) 2 . ?
O21 La1 O15 93.7(3) . . ?
O22 La1 O15 134.0(3) 1_565 . ?
O14 La1 O15 117.0(2) 1_665 . ?
O1W La1 O15 72.7(2) . . ?
O7 La1 O17 115.6(3) . . ?
O24 La1 O17 143.3(3) 2 . ?
O21 La1 O17 65.9(2) . . ?
O22 La1 O17 68.5(3) 1_565 . ?
O14 La1 O17 105.8(2) 1_665 . ?
O1W La1 O17 130.9(2) . . ?
O15 La1 O17 65.5(2) . . ?
O7 La1 O4 141.2(3) . . ?
O24 La1 O4 141.8(2) 2 . ?
O21 La1 O4 113.6(2) . . ?
O22 La1 O4 77.9(2) 1_565 . ?
O14 La1 O4 62.1(2) 1_665 . ?
O1W La1 O4 94.6(2) . . ?
O15 La1 O4 71.6(2) . . ?
O17 La1 O4 48.8(2) . . ?
O7 La1 C1 132.0(3) . . ?
O24 La1 C1 150.3(3) 2 . ?
O21 La1 C1 89.9(3) . . ?
O22 La1 C1 71.3(3) 1_565 . ?
O14 La1 C1 83.5(3) 1_665 . ?
O1W La1 C1 113.9(3) . . ?
O15 La1 C1 66.7(3) . . ?
O17 La1 C1 24.6(3) . . ?
O4 La1 C1 24.2(2) . . ?
O2 La2 O12 73.4(3) 2 . ?
O2 La2 O18 78.3(3) 2 1_455 ?
O12 La2 O18 138.1(3) . 1_455 ?
O2 La2 O1 89.3(3) 2 . ?
O12 La2 O1 75.1(2) . . ?
O18 La2 O1 74.3(3) 1_455 . ?
O2 La2 O2W 93.3(3) 2 . ?
O12 La2 O2W 77.4(2) . . ?
O18 La2 O2W 135.2(2) 1_455 . ?
O1 La2 O2W 150.3(2) . . ?
O2 La2 O6 143.8(2) 2 1_545 ?
O12 La2 O6 70.8(3) . 1_545 ?
O18 La2 O6 134.2(3) 1_455 1_545 ?
O1 La2 O6 86.4(3) . 1_545 ?
O2W La2 O6 74.1(2) . 1_545 ?
O2 La2 O13 78.1(3) 2 . ?
O12 La2 O13 130.3(2) . . ?
O18 La2 O13 70.7(2) 1_455 . ?
O1 La2 O13 144.5(2) . . ?
O2W La2 O13 64.5(2) . . ?
O6 La2 O13 122.8(2) 1_545 . ?
O2 La2 O8 139.0(2) 2 . ?
O12 La2 O8 144.0(3) . . ?
O18 La2 O8 75.2(3) 1_455 . ?
O1 La2 O8 112.4(2) . . ?
O2W La2 O8 84.2(2) . . ?
O6 La2 O8 74.6(2) 1_545 . ?
O13 La2 O8 63.9(2) . . ?
O2 La2 O23 142.6(3) 2 . ?
O12 La2 O23 120.5(3) . . ?
O18 La2 O23 69.2(3) 1_455 . ?
O1 La2 O23 64.8(2) . . ?
O2W La2 O23 122.8(3) . . ?
O6 La2 O23 65.0(3) 1_545 . ?
O13 La2 O23 106.9(2) . . ?
O8 La2 O23 48.2(2) . . ?
O2 La2 C3 149.5(3) 2 . ?
O12 La2 C3 135.0(3) . . ?
O18 La2 C3 71.9(3) 1_455 . ?
O1 La2 C3 89.0(3) . . ?
O2W La2 C3 103.0(3) . . ?
O6 La2 C3 66.4(3) 1_545 . ?
O13 La2 C3 85.8(3) . . ?
O8 La2 C3 24.0(3) . . ?
O23 La2 C3 24.3(3) . . ?
O3 La3 O11 72.4(3) 2_554 . ?
O3 La3 O23 86.0(3) 2_554 1_655 ?
O11 La3 O23 75.5(2) . 1_655 ?
O3 La3 O20 77.9(3) 2_554 1_645 ?
O11 La3 O20 138.1(3) . 1_645 ?
O23 La3 O20 73.5(3) 1_655 1_645 ?
O3 La3 O10 143.6(2) 2_554 . ?
O11 La3 O10 71.2(3) . . ?
O23 La3 O10 87.1(3) 1_655 . ?
O20 La3 O10 133.5(3) 1_645 . ?
O3 La3 O3W 97.4(2) 2_554 . ?
O11 La3 O3W 77.8(2) . . ?
O23 La3 O3W 150.7(2) 1_655 . ?
O20 La3 O3W 135.7(2) 1_645 . ?
O10 La3 O3W 72.9(2) . . ?
O3 La3 O4 83.0(3) 2_554 1_545 ?
O11 La3 O4 131.5(2) . 1_545 ?
O23 La3 O4 144.6(2) 1_655 1_545 ?
O20 La3 O4 71.4(2) 1_645 1_545 ?
O10 La3 O4 120.5(2) . 1_545 ?
O3W La3 O4 64.41(19) . 1_545 ?
O3 La3 O14 141.3(2) 2_554 1_655 ?
O11 La3 O14 143.3(3) . 1_655 ?
O23 La3 O14 112.7(2) 1_655 1_655 ?
O20 La3 O14 75.9(3) 1_645 1_655 ?
O10 La3 O14 73.6(2) . 1_655 ?
O3W La3 O14 82.4(2) . 1_655 ?
O4 La3 O14 61.8(2) 1_545 1_655 ?
O3 La3 O1 140.5(3) 2_554 1_655 ?
O11 La3 O1 120.9(3) . 1_655 ?
O23 La3 O1 65.1(2) 1_655 1_655 ?
O20 La3 O1 68.7(3) 1_645 1_655 ?
O10 La3 O1 64.8(3) . 1_655 ?
O3W La3 O1 121.1(2) . 1_655 ?
O4 La3 O1 104.8(2) 1_545 1_655 ?
O14 La3 O1 48.2(2) 1_655 1_655 ?
O3 La3 C5 149.4(3) 2_554 1_655 ?
O11 La3 C5 135.0(3) . 1_655 ?
O23 La3 C5 89.0(3) 1_655 1_655 ?
O20 La3 C5 71.7(3) 1_645 1_655 ?
O10 La3 C5 66.0(3) . 1_655 ?
O3W La3 C5 101.6(3) . 1_655 ?
O4 La3 C5 83.8(3) 1_545 1_655 ?
O14 La3 C5 24.3(3) 1_655 1_655 ?
O1 La3 C5 24.0(3) 1_655 1_655 ?
O16 La4 O5 77.4(3) 2_464 . ?
O16 La4 O19 77.5(3) 2_464 . ?
O5 La4 O19 134.0(3) . . ?
O16 La4 O17 88.7(3) 2_464 . ?
O5 La4 O17 74.1(2) . . ?
O19 La4 O17 67.4(3) . . ?
O16 La4 O8 77.6(3) 2_464 . ?
O5 La4 O8 134.1(2) . . ?
O19 La4 O8 75.4(3) . . ?
O17 La4 O8 142.4(2) . . ?
O16 La4 O4W 84.7(2) 2_464 . ?
O5 La4 O4W 69.3(2) . . ?
O19 La4 O4W 144.3(3) . . ?
O17 La4 O4W 143.4(2) . . ?
O8 La4 O4W 70.7(2) . . ?
O16 La4 O9 145.2(2) 2_464 1_565 ?
O5 La4 O9 69.7(3) . 1_565 ?
O19 La4 O9 134.7(3) . 1_565 ?
O17 La4 O9 93.0(3) . 1_565 ?
O8 La4 O9 118.1(3) . 1_565 ?
O4W La4 O9 73.4(2) . 1_565 ?
O16 La4 O13 138.8(2) 2_464 . ?
O5 La4 O13 141.2(3) . . ?
O19 La4 O13 78.6(3) . . ?
O17 La4 O13 112.1(2) . . ?
O8 La4 O13 64.2(2) . . ?
O4W La4 O13 96.0(2) . . ?
O9 La4 O13 71.7(2) 1_565 . ?
O16 La4 O21 143.1(3) 2_464 . ?
O5 La4 O21 116.0(3) . . ?
O19 La4 O21 68.9(3) . . ?
O17 La4 O21 65.1(2) . . ?
O8 La4 O21 107.0(2) . . ?
O4W La4 O21 131.8(2) . . ?
O9 La4 O21 65.8(2) 1_565 . ?
O13 La4 O21 48.0(2) . . ?
O16 La4 C7 148.1(3) 2_464 . ?
O5 La4 C7 131.8(3) . . ?
O19 La4 C7 72.1(3) . . ?
O17 La4 C7 88.3(3) . . ?
O8 La4 C7 85.6(3) . . ?
O4W La4 C7 115.2(3) . . ?
O9 La4 C7 66.7(3) 1_565 . ?
O13 La4 C7 24.2(3) . . ?
O21 La4 C7 23.8(3) . . ?
O11 Mo1 O15 108.9(3) . . ?
O11 Mo1 O3 109.1(4) . . ?
O15 Mo1 O3 109.9(4) . . ?
O11 Mo1 O19 107.6(3) . . ?
O15 Mo1 O19 110.5(4) . . ?
O3 Mo1 O19 110.9(4) . . ?
O5 Mo2 O20 108.0(3) . . ?
O5 Mo2 O6 109.6(4) . . ?
O20 Mo2 O6 110.4(4) . . ?
O5 Mo2 O16 108.9(4) . . ?
O20 Mo2 O16 109.3(4) . . ?
O6 Mo2 O16 110.6(4) . . ?
O7 Mo3 O18 107.4(3) . . ?
O7 Mo3 O2 108.9(4) . . ?
O18 Mo3 O2 110.3(4) . . ?
O7 Mo3 O10 109.5(4) . . ?
O18 Mo3 O10 110.7(4) . . ?
O2 Mo3 O10 110.1(4) . . ?
O12 Mo4 O24 109.0(4) . . ?
O12 Mo4 O9 108.7(3) . . ?
O24 Mo4 O9 109.7(4) . . ?
O12 Mo4 O22 106.8(3) . . ?
O24 Mo4 O22 112.1(4) . . ?
O9 Mo4 O22 110.3(4) . . ?
La1 O1W H1WA 112.5 . . ?
La1 O1W H1WB 136.7 . . ?
H1WA O1W H1WB 107.7 . . ?
La2 O2W H2WA 125(5) . . ?
La2 O2W H2WB 119(5) . . ?
H2WA O2W H2WB 110.5(18) . . ?
La3 O3W H3WA 147.7 . . ?
La3 O3W H3WB 100.3 . . ?
H3WA O3W H3WB 107.7 . . ?
La4 O4W H4WA 105.1 . . ?
La4 O4W H4WB 145.4 . . ?
H4WA O4W H4WB 107.7 . . ?
C5 O1 La2 149.2(8) . . ?
C5 O1 La3 95.3(7) . 1_455 ?
La2 O1 La3 115.0(3) . 1_455 ?
Mo3 O2 La2 155.7(5) . 2 ?
Mo1 O3 La3 156.2(5) . 2_554 ?
C1 O4 La3 130.2(6) . 1_565 ?
C1 O4 La1 96.3(6) . . ?
La3 O4 La1 116.9(3) 1_565 . ?
Mo2 O5 La4 152.5(4) . . ?
Mo3 O7 La1 151.7(4) . . ?
C3 O8 La4 141.8(6) . . ?
C3 O8 La2 98.1(6) . . ?
La4 O8 La2 116.5(3) . . ?
Mo4 O9 La4 126.4(4) . 1_545 ?
Mo3 O10 La3 133.8(4) . . ?
Mo1 O11 La3 158.3(5) . . ?
Mo4 O12 La2 159.7(5) . . ?
C7 O13 La2 131.3(6) . . ?
C7 O13 La4 97.3(7) . . ?
La2 O13 La4 114.2(3) . . ?
C5 O14 La1 140.7(6) . 1_445 ?
C5 O14 La3 97.0(6) . 1_455 ?
La1 O14 La3 118.1(3) 1_445 1_455 ?
Mo1 O15 La1 126.0(4) . . ?
Mo2 O16 La4 152.0(4) . 2_464 ?
C1 O17 La4 146.1(7) . . ?
C1 O17 La1 96.0(7) . . ?
La4 O17 La1 115.2(3) . . ?
Mo3 O18 La2 130.6(4) . 1_655 ?
Mo1 O19 La4 134.3(4) . . ?
Mo2 O20 La3 132.7(4) . 1_465 ?
C7 O21 La1 147.9(8) . . ?
C7 O21 La4 95.8(8) . . ?
La1 O21 La4 113.8(3) . . ?
Mo4 O22 La1 134.0(4) . 1_545 ?
C3 O23 La3 149.6(7) . 1_455 ?
C3 O23 La2 94.6(7) . . ?
La3 O23 La2 115.2(3) 1_455 . ?
Mo4 O24 La1 154.4(5) . 2 ?
O4 C1 O17 118.8(10) . . ?
O4 C1 C2 122.2(10) . . ?
O17 C1 C2 119.0(11) . . ?
O4 C1 La1 59.5(6) . . ?
O17 C1 La1 59.4(6) . . ?
C2 C1 La1 178.3(9) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
O8 C3 O23 118.7(10) . . ?
O8 C3 C4 121.6(10) . . ?
O23 C3 C4 119.7(11) . . ?
O8 C3 La2 57.9(5) . . ?
O23 C3 La2 61.1(6) . . ?
C4 C3 La2 174.1(8) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
O1 C5 O14 119.3(11) . . ?
O1 C5 C6 119.7(12) . . ?
O14 C5 C6 121.0(10) . . ?
O1 C5 La3 60.7(6) . 1_455 ?
O14 C5 La3 58.8(5) . 1_455 ?
C6 C5 La3 173.0(8) . 1_455 ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O21 C7 O13 118.9(12) . . ?
O21 C7 C8 119.4(12) . . ?
O13 C7 C8 121.6(11) . . ?
O21 C7 La4 60.4(7) . . ?
O13 C7 La4 58.5(6) . . ?
C8 C7 La4 177.7(8) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Mo2 O6 La2 134.0(4) . 1_565 ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.933
_refine_diff_density_min         -1.123
_refine_diff_density_rms         0.218
